1,2-二氢邻苯二甲酸
TL;DR: 1,2-二氢邻苯二甲酸 (CAS 22919-28-4) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二氢邻苯二甲酸
cyclohexa-3,5-diene-1,2-dicarboxylic acid
Also Known As: 1,2-Dihydrophthalic acid, dihydrophthalic acid, Cyclohexa-3,5-diene-1,2-dicarboxylic acid, 3,5-cyclohexadiene-1,2-dicarboxylic acid, trans-1,2-Dihydrophthalsaeure
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 22919-28-4 |
|---|---|
| SMILES | C1=CC(C(C=C1)C(=O)O)C(=O)O |
| InChIKey | OYUWHGGWLCJJNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二氢邻苯二甲酸 (CAS 22919-28-4), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: cyclohexa-3,5-diene-1,2-dicarboxylic acid.
Chemical Property Profile of 1,2-二氢邻苯二甲酸
Property Insights of 1,2-二氢邻苯二甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二氢邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-二氢邻苯二甲酸. Following Lipinski's Rule of Five, 1,2-二氢邻苯二甲酸 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-二氢邻苯二甲酸?
The CAS number of 1,2-二氢邻苯二甲酸 is 22919-28-4.
What is the molecular formula of 1,2-二氢邻苯二甲酸?
The molecular formula of 1,2-二氢邻苯二甲酸 is C8H8O4.
What is the molecular weight of 1,2-二氢邻苯二甲酸?
The molecular weight of 1,2-二氢邻苯二甲酸 is 168.04 g/mol.
Where can I buy 1,2-二氢邻苯二甲酸?
You can request a quote for 1,2-二氢邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二氢邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氢邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.